(phenylmethyl) 5-phenylsulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-phenylsulfanyl-1H-pyrrole-3-carboxylate Openeye Name: benzyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate CAS Name: 5-(phenylthio)-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-phenylsulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(phenylthio)-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CNC(=C2)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CNC(=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H15NO2S/c20-18(21-13-14-7-3-1-4-8-14)15-11-17(19-12-15)22-16-9-5-2-6-10-16/h1-12,19H,13H2